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Adipic acid, bis(3,3,5-trimethylhexyl) ester
SpectraBase Compound ID EF6sTiDsUmi
InChI InChI=1S/C24H46O4/c1-19(2)17-23(5,6)13-15-27-21(25)11-9-10-12-22(26)28-16-14-24(7,8)18-20(3)4/h19-20H,9-18H2,1-8H3
InChIKey BVDJZDODWHVXPA-UHFFFAOYSA-N
Mol Weight 398.6 g/mol
Molecular Formula C24H46O4
Exact Mass 398.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AD7JwksaMZ6
Name Adipic acid, bis(3,3,5-trimethylhexyl) ester
CAS Registry Number 13007-41-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H46O4
InChI InChI=1S/C24H46O4/c1-19(2)17-23(5,6)13-15-27-21(25)11-9-10-12-22(26)28-16-14-24(7,8)18-20(3)4/h19-20H,9-18H2,1-8H3
InChIKey BVDJZDODWHVXPA-UHFFFAOYSA-N
Molecular Weight 398.628 g/mol
SMILES C(CC(CC(C)C)(C)C)OC(CCCCC(OCCC(CC(C)C)(C)C)=O)=O
SPLASH splash10-0a4i-9200000000-3b298a3f88fa49f52e8f
Source of Spectrum AA-0-2155-2
Synonyms Bis(3,3,5-trimethylhexyl) hexanedioate Hexanedioic acid bis(3,3,5-trimethylhexyl) ester Hexanedioic acid, di-(3,3,5-trimethylhexyl) ester
Wiley ID 56953